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DocumentationIdentifier: MM331619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331619 |
| SMILES |
CCC(C)CC(=NC)NC
|
| InChIKey |
PMMDHDXIWIQRLH-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.42 |
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|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+395 more
